SCHEMBL2350503

SCHEMBL2350503

COc1cc2c(cc1OC)C1CC(OC(C)=O)CCC1N=C2c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.44
PDE4B Q07343 10/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 1/20 0.44
CYP19A1 P11511 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
LMNA P02545 1/20 0.32
SMPD3 Q9NY59 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
CHRM1 P11229 1/20 0.31
PDE3A Q14432 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2346855 0.94 PDE4D (0.51) PDE4DPDE4BPDE4APDE4CCYP19A1
SCHEMBL3471184 0.89 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CTSHR
SCHEMBL2538730 0.89 MKNK1 (0.41) PDE4DPDE4BPDE4APDE4CCYP19A1
Hydrochloric Acid SCHEMBL3470610 0.88 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CTSHR
SCHEMBL5482662 0.84 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CLMNA
SCHEMBL2344796 0.84 PDE4A (0.47) PDE4DPDE4BPDE4APDE4CCYP19A1
SCHEMBL5481937 0.84 PDE4D (0.42) PDE4DPDE4BPDE4APDE4CROCK2
SCHEMBL1410585 0.83 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL2346512 0.83 PDE4D (0.47) PDE4DPDE4BPDE4APDE4CKMT2A
SCHEMBL2265798 0.83 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS NYCOMED GMBH (DE) 2011-10-20 US disclosed
US-8003798-B2 Hydroxy-6-heteroarylphenanthridines and their use as PDE4 inhibitors NYCOMED GMBH (DE) 2011-08-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110257221-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4B 2/4885PDE4A 1/4885
US-20110257169-A1 NOVEL HYDROXY-6-HETEROARYLPHENANTHRIDINES AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C PDE4D 4/4885PDE4B 2/4885PDE4A 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.